(4-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-yl)methanol

C11H21NO — CID 105440804

IUPAC(4-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-yl)methanol
SMILESCC1(CO)CCCC2CCCCN21
InChIInChI=1S/C11H21NO/c1-11(9-13)7-4-6-10-5-2-3-8-12(10)11/h10,13H,2-9H2,1H3
InChIKeyOSPKSWYJBJSTQQ-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.78
Rot. Bonds1

About (4-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-yl)methanol

(4-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-yl)methanol (PubChem CID 105440804) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (4-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-yl)methanol.

Molecular Properties

Compound Name(4-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-yl)methanol
PubChem CID105440804
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(4-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-yl)methanol
SMILESCC1(CO)CCCC2CCCCN21
InChIInChI=1S/C11H21NO/c1-11(9-13)7-4-6-10-5-2-3-8-12(10)11/h10,13H,2-9H2,1H3
InChIKeyOSPKSWYJBJSTQQ-UHFFFAOYSA-N
XLogP1.78
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(1-cyclopentyl-2,2-dimethylpyrrolidin-3-yl)ethanol
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[1-[4-[2-(hydroxymethyl)-2-methylpiperidin-1-yl]but-2-enyl]-2-methylpiperidin-2-yl]methanol
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CID 168910228
2-methyl-1-(1-methylazepan-4-yl)piperidine-2-carboxylic acid
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[2-methyl-1-(2-methylpropyl)piperidin-2-yl]methanol
CID 127000302
1-cycloheptyl-2,2-dimethylpyrrolidin-3-ol
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[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-cyclopentylmethanone
CID 115270531
[1-amino-3-(2-cyclopentylpyrrolidin-1-yl)cyclohexyl]methanol
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(3-amino-1-cyclopentylpiperidin-3-yl)methanol
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Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-yl)methanol?
The IUPAC name of (4-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-yl)methanol (CID 105440804) is (4-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-yl)methanol.
What is the SMILES notation for (4-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-yl)methanol?
The canonical SMILES for (4-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-yl)methanol is CC1(CO)CCCC2CCCCN21.
What is the InChIKey of (4-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-yl)methanol?
The InChIKey is OSPKSWYJBJSTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-11(9-13)7-4-6-10-5-2-3-8-12(10)11/h10,13H,2-9H2,1H3.
What are the key properties of (4-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-yl)methanol?
(4-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-yl)methanol has a molecular weight of 183.29 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-yl)methanol is sourced from PubChem (CID 105440804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).